[2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone

C15H11F3O3 — CID 43339634

IUPAC[2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C15H11F3O3/c1-20-12-7-6-9(16)8-11(12)14(19)10-4-2-3-5-13(10)21-15(17)18/h2-8,15H,1H3
InChIKeyUPRRCXRDQZNURN-UHFFFAOYSA-N
MW296.24 g/mol
LogP3.67
Rot. Bonds5

About [2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone

[2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 43339634) has the molecular formula C15H11F3O3 and a molecular weight of 296.24 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID43339634
Molecular FormulaC15H11F3O3
Molecular Weight296.24 g/mol
Exact Mass296.07
IUPAC Name[2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C15H11F3O3/c1-20-12-7-6-9(16)8-11(12)14(19)10-4-2-3-5-13(10)21-15(17)18/h2-8,15H,1H3
InChIKeyUPRRCXRDQZNURN-UHFFFAOYSA-N
XLogP3.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(difluoromethoxy)phenyl]-(2,5-difluorophenyl)methanone
CID 43337454
[2-(difluoromethoxy)phenyl]-(2,4-difluorophenyl)methanone
CID 43337704
N-[2-(difluoromethoxy)phenyl]-5-fluoro-2-methoxybenzamide
CID 31079743
(3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 43339860
(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339638
(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanone
CID 62946338
[2-(difluoromethoxy)phenyl]-(3-fluoro-5-methylphenyl)methanone
CID 115787652
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
2-bromo-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-1-one
CID 134619294
[2-(difluoromethoxy)phenyl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107515050
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339651

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of [2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone (CID 43339634) is [2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone is COc1ccc(F)cc1C(=O)c1ccccc1OC(F)F.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is UPRRCXRDQZNURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3/c1-20-12-7-6-9(16)8-11(12)14(19)10-4-2-3-5-13(10)21-15(17)18/h2-8,15H,1H3.
What are the key properties of [2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone?
[2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 296.24 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 43339634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).